采用半自洽场(semi-SCF) d轨道模型和点电荷模型,建立起了过渡金属离子晶体局域结构、吸收光谱与EPR谱之间的定量关系,应用高阶微扰的方法,引入平均共价因子N,统一的解释了ENST晶体中过渡金属Ni2+在D4h对称的伸长和压缩八面体时的吸收光谱、顺磁g因子和零场分裂D的值,其计算结果与实验发现较好的符合,同时本文还确定了实验中测得的零场分裂D的符号以及在实验中未测得的部分吸收光谱的值.
参考文献
| [1] | Du M L;Zhao M G .A Study of the Structure of the Cr3+-vacancy Centre in MgO Using EPR and Optical Spectra[J].Journal of Physics C:Solid State Physics,1986,19:2935-2938. |
| [2] | Zhao M G .Local Structure Determination of Mn2+-doped Fluoride Crystals by Superhyperfine Splitting Measurements[J].Chinese Physics Letters,1998,15(01):43-45. |
| [3] | Yang Z Y .An Investigation of the EPR Zero-field Splitting of Cr3+ Ions at the Tetragonal Site and the Cd2+ Vacancy in RbCdF3:Cr3+ Crystal[J].Physica B Condensed Matter,2000,12(17):4091-4096. |
| [4] | 陈太红,肖顺文,陈元莉,余飞,曾体贤.Ni（IO3）2·2H2O晶体的局部结构、吸收谱和漫反射光谱的研究[J].人工晶体学报,2007(06):1377-1381. |
| [5] | Xie LH.;Hu P.;Zhao MG. .Unified explanation for optical and high-pressure spectra of Ni2+ ions in ZnS crystal[J].The journal of physics and chemistry of solids,2003(8):1247-1250. |
| [6] | Huang D B;Huang J L.The Structure of Ni(en)3[Ni(en)2Ag2(NCS)6]@H2O Crystal[J].Chinese Science Bulletin,1984(05):279-282. |
| [7] | Huang D B;Huang J L .Crystal Structure of Ni(en)3[Ni(en)2Ag2(NCS)6]@H2O[J].J Fuzhou Univ,1982,4:108-109. |
| [8] | Zhang Y F;Li J M;Huang D B.The Experimental Research and Theoretical Explanation of Electronic Structure for Ni(en)3[Ni(en)2Ag2(NCS)6]@H2O Crystal[J].Chinese Science Bulletin,1985(06):503-508. |
| [9] | Zhao M G;Du M L;Shen G Y .A μ-k-α Correlation Ligand-Field Model for the Ni2+-6X-Cluster[J].Journal of Physics C:Solid State Physics,1987,20:5557-5571. |
| [10] | Zhao M G;Xu J A;Bai G R et al.d-orbital and High-pressure Effects upon the EPR Spectrum of Ruby[J].Physical Review B:Condensed Matter,1983,27(03):1516-1522. |
| [11] | 陈太红.NiSO4·6H2O晶体的结构、光学和磁学性质的理论研究[J].计算物理,2006(05):576-582. |
| [12] | 赵敏光.配位场理论[M].贵阳:贵州人民出版社,1985 |
| [13] | 赵敏光.晶体场理论与电子顺磁共振[M].北京:科学出版社,1991 |
| [14] | Macfarlane R M .Perturbation Methods in the Calculation of Zeeman Interactions and Magnetic Dipole Line Strengths for d3 Trigonal-crystal Spectra[J].Physical Review B:Condensed Matter,1970,1(03):989-995. |
| [15] | Chen J J;Zhao M G .Hight-order Perturbation Formulae of the Spin-Hamiltonian Parameters for the Ground State 3A2(F) OF d8 Ions in Rhombic Symmetry[J].Physical Status Solidi,1987,143(B):647-653. |
| [16] | 陈太红,余飞,曾体贤.用光谱和零场分裂确定晶体K2ZnF4：Ni2+的局部结构参数[J].四川师范大学学报（自然科学版）,2005(05):573-577. |
| [17] | Chen T H .Study of the Structure,Optical Specturm and EPR Spectra for (NH4)2Ni(SO4)2@6H2O Crystal[J].J Chin West Normal Univ (Natural Science),2005,3(26):227-231. |
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